SCHEMBL30468698

SCHEMBL30468698

CCCc1ccc(C#N)cc1C#N

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CTSK P43235 2/20 0.41
CTSS P25774 1/20 0.41
CYP2A6 P11509 3/20 0.41
HRH4 Q9H3N8 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
FFAR1 O14842 2/20 0.38
FFAR4 Q5NUL3 1/20 0.38
AR P10275 1/20 0.37
CYP19A1 P11511 2/20 0.36
ALDH1A1 P00352 1/20 0.35
IMPDH2 P12268 1/20 0.35
IMPDH1 P20839 1/20 0.35
ADRA2C P18825 1/20 0.35
DRD2 P14416 2/20 0.35
DRD3 P35462 2/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9641171 1.00 MEN1 (0.44) MEN1KMT2ACTSKCTSSCYP2A6
SCHEMBL16961383 0.87 MEN1 (0.35) MEN1KMT2ACTSKCTSSCYP2A6
SCHEMBL16960415 0.87 MEN1 (0.41) MEN1KMT2ACTSKCTSSCYP2A6
SCHEMBL8860801 0.86 TSHR (0.53) MEN1KMT2ATSHRHSD17B10CYP19A1
SCHEMBL10824278 0.84 CYP2A6 (0.48) MEN1KMT2ACYP2A6FFAR1FFAR4
SCHEMBL16952235 0.81 CTSK (0.41) CTSKCTSSCYP2A6TSHRFFAR1
SCHEMBL12107913 0.81 CNR1 (0.41) MEN1KMT2ACTSKCTSSCYP2A6
SCHEMBL15905720 0.81 MEN1 (0.44) MEN1KMT2ACTSKCTSSCYP2A6
SCHEMBL12663273 0.81 CYP2A6 (0.45) MEN1KMT2ACTSKCTSSCYP2A6
SCHEMBL14291553 0.81 CYP2A6 (0.45) MEN1KMT2ACTSKCTSSCYP2A6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116490350-A Resin composition, prepreg, resin sheet, metal foil-clad laminate, and printed wiring board 三菱瓦斯化学株式会社 2023-07-25 CN disclosed